Chemical Properties of Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester (CAS 1947-00-8)

InChI

InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)

InChI Key

RXQDBVWDABAAHL-UHFFFAOYSA-N

Formula

C14H19NO4

SMILES

O=C(O)CCCCCNC(=O)OCc1ccccc1

Molecular Weight¹

265.31

CAS

1947-00-8

Other Names

• 6-[[(phenylmethoxy)carbonyl]amino]hexanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.14; 679.64]	J/mol×K	[818.91; 1019.78]
Cp,gas	622.14	J/mol×K	818.91	Joback Calculated Property
Cp,gas	633.71	J/mol×K	852.39	Joback Calculated Property
Cp,gas	644.45	J/mol×K	885.87	Joback Calculated Property
Cp,gas	654.38	J/mol×K	919.35	Joback Calculated Property
Cp,gas	663.53	J/mol×K	952.83	Joback Calculated Property
Cp,gas	671.94	J/mol×K	986.30	Joback Calculated Property
Cp,gas	679.64	J/mol×K	1019.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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